[Pw_forum] s and p states

Ngoc Linh Nguyen nnlinh at sissa.it
Thu Feb 4 14:07:42 CET 2010


isaac motochi wrote:
> I have done a DOS calculation for diamond surface adsorbed with some 
> elements like Hydrogen and oxygen. From my DOS curves I can't get the 
> information on s and p peaks.
As I understand, you want to obtain the DOS of s or p orbitals of the 
adsorbate, i.e. Hydrogen or Oxygen atom. Those can be seen in PDOS 
(projected density of states) files.

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